General Information of the Compound
| Compound ID |
CP0521255
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| Compound Name |
US8940771, 114
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| Structure |
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| Formula |
C19H24F2N6O2S
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| Molecular Weight |
438.504
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| Canonical SMILES |
Cc1nc(NC(=O)N2CCC[C@@]2(C(F)F)C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
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| InChI |
InChI=1S/C19H24F2N6O2S/c1-10-12(11-6-8-23-15(25-11)18(2,3)4)30-16(24-10)26-17(29)27-9-5-7-19(27,13(20)21)14(22)28/h6,8,13H,5,7,9H2,1-4H3,(H2,22,28)(H,24,26,29)/t19-/m1/s1
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| InChIKey |
NLBFMNKCSLRWGV-LJQANCHMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound